tapentadol

Ligand id: 7477

Name: tapentadol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 221.18
XLogP 3.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name
3-[(2R,3R)-1-dimethylamino-2-methylpentan-3-yl]phenol
International Nonproprietary Names
INN number INN
8216 tapentadol
Synonyms
BN-200 | CG-5503 | Nucynta® | Palexia®
Database Links
CAS Registry No. 175591-23-8
ChEMBL Ligand CHEMBL1201776
DrugBank Ligand DB06204
GtoPdb PubChem SID 187051780
PubChem CID 9838022
Search Google for chemical match using the InChIKey KWTWDQCKEHXFFR-SMDDNHRTSA-N
Search Google for chemicals with the same backbone KWTWDQCKEHXFFR
Search PubMed clinical trials tapentadol
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Search UniChem for chemical match using the InChIKey KWTWDQCKEHXFFR-SMDDNHRTSA-N
Search UniChem for chemicals with the same backbone KWTWDQCKEHXFFR
Wikipedia Tapentadol
Comments
The marketed formulation contains tapentadol hydrochloride (PubChem CID 9838021).